2-[6-(3,4-dimethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile

Systemtic Name: 2-[6-(3,4-dimethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile Openeye Name: 2-[6-(3,4-dimethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile CAS Name: 2-[6-(3,4-dimethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile IUPAC Name: 2-[6-(3,4-dimethoxyphenyl)-4-(methylamino)hexyl]-2-(3-ethoxyphenyl)heptadecanenitrile Traditional Name: 2-[6-(3,4-dimethoxyphenyl)-4-(methylamino)hexyl]-2-m-phenetyl-heptadecanenitrile Formula: C40H64N2O3 MolecularWeight: 620.94776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCC(CCC1=CC(=C(C=C1)OC)OC)NC)(C#N)C2=CC(=CC=C2)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCCC(CCC1=CC(=C(C=C1)OC)OC)NC)(C#N)C2=CC(=CC=C2)OCC

InChI

InChI=1S/C40H64N2O3/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-29-40(33-41,35-22-20-24-37(32-35)45-7-2)30-21-23-36(42-3)27-25-34-26-28-38(43-4)39(31-34)44-5/h20,22,24,26,28,31-32,36,42H,6-19,21,23,25,27,29-30H2,1-5H3